2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine

C14H15FN2 — CID 56712109

IUPAC2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine
SMILESCCCc1cnc(-c2cc(F)ccc2C)nc1
InChIInChI=1S/C14H15FN2/c1-3-4-11-8-16-14(17-9-11)13-7-12(15)6-5-10(13)2/h5-9H,3-4H2,1-2H3
InChIKeyPMTKRXWBUSQWKT-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.54
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine

2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine (PubChem CID 56712109) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine
PubChem CID56712109
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine
SMILESCCCc1cnc(-c2cc(F)ccc2C)nc1
InChIInChI=1S/C14H15FN2/c1-3-4-11-8-16-14(17-9-11)13-7-12(15)6-5-10(13)2/h5-9H,3-4H2,1-2H3
InChIKeyPMTKRXWBUSQWKT-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine (CID 56712109) is 2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine is CCCc1cnc(-c2cc(F)ccc2C)nc1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine?
The InChIKey is PMTKRXWBUSQWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-3-4-11-8-16-14(17-9-11)13-7-12(15)6-5-10(13)2/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine?
2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine has a molecular weight of 230.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-5-propylpyrimidine is sourced from PubChem (CID 56712109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).